3-(2-bromoacetyl)benzonitrile 3-(2-溴乙酰基)苄腈

CAS 50916-55-7 MFCD00833267

化学结构图

50916-55-7
SMILES: N#CC1C=C(C=CC=1)C(=O)CBr

化学属性

Mol. FormulaC9H6BrNO
Mol. Weight224
Melting Point69.0 to 73.0 deg-C

别名和识别编码

Chemical Name3-(2-bromoacetyl)benzonitrile
CAS Number50916-55-7
Alfabeta NameBROMOACETYLBENZENECARBONITRILE 32()--
MDL NumberMFCD00833267
Synonym 1-(3-Cyanophenyl)-2-bromoethanone 2-Bromo-1-(3-cyanophenyl)ethanone 2-Bromo-3'-cyanoacetophenone 3-(2-Bromoacetyl)benzonitrile 3-(2-bromoacetyl)benzonitrile 3-Bromoacetylbenzonitrile 3-Cyanophenacyl Bromide m-Cyanophenacyl B
Chemical Name Translation3-(2-溴乙酰基)苄腈
PubChem Substance ID253659723
Reaxys-RN3243124
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分类

  • {KO} Nitriles
  • {KO} Ketones
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {KO} ReacBromides
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Aromatics

产品应用

  • Used in the study of novel GSK-3 inhibitors as central nervous system agents.

相关文献及参考

  • Belani, C., et al.: Cancer Invest., 28, 413 (2010),
  • Martinez, A., et al.: J. Alzheimers Dis., 15, 181 (2008),
  • Plattner, F., et al.: J. Biol. Chem., 281, 25457 (2006),

安全信息

Warnings IRRITANT
WGK Germany3
Hazard Class8/6.1
Hazard statements
  • H301+H311+H331
GHS Symbol
UN Number 2923
Signal word
Precautionary statements
  • P303+P361+P353+P310+P363
  • P301+P330+P331+P310
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338+P310
  • P304+P340+P310
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
Packing GroupIII

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
2
Rotatable Bonds
2
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles

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